4-(5-chloro-6-fluoro-2-pyridinyl)-6-(5-ethyl-3-pyridinyl)-1H-pyrazolo[4,3-c]pyridine

C18H13ClFN5 — CID 90021416

IUPAC4-(5-chloro-6-fluoro-2-pyridinyl)-6-(5-ethyl-3-pyridinyl)-1H-pyrazolo[4,3-c]pyridine
SMILESCCc1cncc(-c2cc3[nH]ncc3c(-c3ccc(Cl)c(F)n3)n2)c1
InChIInChI=1S/C18H13ClFN5/c1-2-10-5-11(8-21-7-10)15-6-16-12(9-22-25-16)17(23-15)14-4-3-13(19)18(20)24-14/h3-9H,2H2,1H3,(H,22,25)
InChIKeyGMIBTEPEYBBLJF-UHFFFAOYSA-N
MW353.79 g/mol
LogP4.44
Rot. Bonds3

About 4-(5-chloro-6-fluoro-2-pyridinyl)-6-(5-ethyl-3-pyridinyl)-1H-pyrazolo[4,3-c]pyridine

4-(5-chloro-6-fluoro-2-pyridinyl)-6-(5-ethyl-3-pyridinyl)-1H-pyrazolo[4,3-c]pyridine (PubChem CID 90021416) has the molecular formula C18H13ClFN5 and a molecular weight of 353.79 g/mol. Its IUPAC name is 4-(5-chloro-6-fluoro-2-pyridinyl)-6-(5-ethyl-3-pyridinyl)-1H-pyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name4-(5-chloro-6-fluoro-2-pyridinyl)-6-(5-ethyl-3-pyridinyl)-1H-pyrazolo[4,3-c]pyridine
PubChem CID90021416
Molecular FormulaC18H13ClFN5
Molecular Weight353.79 g/mol
Exact Mass353.08
IUPAC Name4-(5-chloro-6-fluoro-2-pyridinyl)-6-(5-ethyl-3-pyridinyl)-1H-pyrazolo[4,3-c]pyridine
SMILESCCc1cncc(-c2cc3[nH]ncc3c(-c3ccc(Cl)c(F)n3)n2)c1
InChIInChI=1S/C18H13ClFN5/c1-2-10-5-11(8-21-7-10)15-6-16-12(9-22-25-16)17(23-15)14-4-3-13(19)18(20)24-14/h3-9H,2H2,1H3,(H,22,25)
InChIKeyGMIBTEPEYBBLJF-UHFFFAOYSA-N
XLogP4.44
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.79
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-6-fluoro-2-pyridinyl)-6-(5-ethyl-3-pyridinyl)-1H-pyrazolo[4,3-c]pyridine?
The IUPAC name of 4-(5-chloro-6-fluoro-2-pyridinyl)-6-(5-ethyl-3-pyridinyl)-1H-pyrazolo[4,3-c]pyridine (CID 90021416) is 4-(5-chloro-6-fluoro-2-pyridinyl)-6-(5-ethyl-3-pyridinyl)-1H-pyrazolo[4,3-c]pyridine.
What is the SMILES notation for 4-(5-chloro-6-fluoro-2-pyridinyl)-6-(5-ethyl-3-pyridinyl)-1H-pyrazolo[4,3-c]pyridine?
The canonical SMILES for 4-(5-chloro-6-fluoro-2-pyridinyl)-6-(5-ethyl-3-pyridinyl)-1H-pyrazolo[4,3-c]pyridine is CCc1cncc(-c2cc3[nH]ncc3c(-c3ccc(Cl)c(F)n3)n2)c1.
What is the InChIKey of 4-(5-chloro-6-fluoro-2-pyridinyl)-6-(5-ethyl-3-pyridinyl)-1H-pyrazolo[4,3-c]pyridine?
The InChIKey is GMIBTEPEYBBLJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClFN5/c1-2-10-5-11(8-21-7-10)15-6-16-12(9-22-25-16)17(23-15)14-4-3-13(19)18(20)24-14/h3-9H,2H2,1H3,(H,22,25).
What are the key properties of 4-(5-chloro-6-fluoro-2-pyridinyl)-6-(5-ethyl-3-pyridinyl)-1H-pyrazolo[4,3-c]pyridine?
4-(5-chloro-6-fluoro-2-pyridinyl)-6-(5-ethyl-3-pyridinyl)-1H-pyrazolo[4,3-c]pyridine has a molecular weight of 353.79 g/mol, XLogP of 4.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-6-fluoro-2-pyridinyl)-6-(5-ethyl-3-pyridinyl)-1H-pyrazolo[4,3-c]pyridine is sourced from PubChem (CID 90021416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).